(3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol

C14H21NO2 — CID 13186898

IUPAC(3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol
SMILESCc1ccc(O[C@@H]2CCN(C)C[C@H]2O)cc1C
InChIInChI=1S/C14H21NO2/c1-10-4-5-12(8-11(10)2)17-14-6-7-15(3)9-13(14)16/h4-5,8,13-14,16H,6-7,9H2,1-3H3/t13-,14-/m1/s1
InChIKeyQHLZEGUGGHUTPS-ZIAGYGMSSA-N
MW235.33 g/mol
LogP1.75
Rot. Bonds2

About (3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol

(3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol (PubChem CID 13186898) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol
PubChem CID13186898
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol
SMILESCc1ccc(O[C@@H]2CCN(C)C[C@H]2O)cc1C
InChIInChI=1S/C14H21NO2/c1-10-4-5-12(8-11(10)2)17-14-6-7-15(3)9-13(14)16/h4-5,8,13-14,16H,6-7,9H2,1-3H3/t13-,14-/m1/s1
InChIKeyQHLZEGUGGHUTPS-ZIAGYGMSSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol?
The IUPAC name of (3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol (CID 13186898) is (3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol is Cc1ccc(O[C@@H]2CCN(C)C[C@H]2O)cc1C.
What is the InChIKey of (3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol?
The InChIKey is QHLZEGUGGHUTPS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-5-12(8-11(10)2)17-14-6-7-15(3)9-13(14)16/h4-5,8,13-14,16H,6-7,9H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol?
(3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol is sourced from PubChem (CID 13186898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).